6-fluoro-4-[(E)-2-(3-fluorophenyl)ethenyl]cinnoline

C16H10F2N2 — CID 6414924

IUPAC6-fluoro-4-[(E)-2-(3-fluorophenyl)ethenyl]cinnoline
SMILESFc1cccc(/C=C/c2cnnc3ccc(F)cc23)c1
InChIInChI=1S/C16H10F2N2/c17-13-3-1-2-11(8-13)4-5-12-10-19-20-16-7-6-14(18)9-15(12)16/h1-10H/b5-4+
InChIKeyQIRNNIFPQBEHIQ-SNAWJCMRSA-N
MW268.27 g/mol
LogP4.08
Rot. Bonds2

About 6-fluoro-4-[(E)-2-(3-fluorophenyl)ethenyl]cinnoline

6-fluoro-4-[(E)-2-(3-fluorophenyl)ethenyl]cinnoline (PubChem CID 6414924) has the molecular formula C16H10F2N2 and a molecular weight of 268.27 g/mol. Its IUPAC name is 6-fluoro-4-[(E)-2-(3-fluorophenyl)ethenyl]cinnoline.

Molecular Properties

Compound Name6-fluoro-4-[(E)-2-(3-fluorophenyl)ethenyl]cinnoline
PubChem CID6414924
Molecular FormulaC16H10F2N2
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name6-fluoro-4-[(E)-2-(3-fluorophenyl)ethenyl]cinnoline
SMILESFc1cccc(/C=C/c2cnnc3ccc(F)cc23)c1
InChIInChI=1S/C16H10F2N2/c17-13-3-1-2-11(8-13)4-5-12-10-19-20-16-7-6-14(18)9-15(12)16/h1-10H/b5-4+
InChIKeyQIRNNIFPQBEHIQ-SNAWJCMRSA-N
XLogP4.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[(E)-2-(3-fluorophenyl)ethenyl]cinnoline?
The IUPAC name of 6-fluoro-4-[(E)-2-(3-fluorophenyl)ethenyl]cinnoline (CID 6414924) is 6-fluoro-4-[(E)-2-(3-fluorophenyl)ethenyl]cinnoline.
What is the SMILES notation for 6-fluoro-4-[(E)-2-(3-fluorophenyl)ethenyl]cinnoline?
The canonical SMILES for 6-fluoro-4-[(E)-2-(3-fluorophenyl)ethenyl]cinnoline is Fc1cccc(/C=C/c2cnnc3ccc(F)cc23)c1.
What is the InChIKey of 6-fluoro-4-[(E)-2-(3-fluorophenyl)ethenyl]cinnoline?
The InChIKey is QIRNNIFPQBEHIQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H10F2N2/c17-13-3-1-2-11(8-13)4-5-12-10-19-20-16-7-6-14(18)9-15(12)16/h1-10H/b5-4+.
What are the key properties of 6-fluoro-4-[(E)-2-(3-fluorophenyl)ethenyl]cinnoline?
6-fluoro-4-[(E)-2-(3-fluorophenyl)ethenyl]cinnoline has a molecular weight of 268.27 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[(E)-2-(3-fluorophenyl)ethenyl]cinnoline is sourced from PubChem (CID 6414924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).